Barbituric acid, 1,3-dimethyl-5-(1-methylbutyl)-
Basic information
- CAS
66941-07-9- Standard SMILES
CCCC(C)C1C(=O)N(C)C(=O)N(C)C1=O- InChIKey
XOADURCWFNUIPK-UHFFFAOYSA-N- Molecular formula
- C11H18N2O3
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.13174244
Names & identifiers
- Preferred name
- Barbituric acid, 1,3-dimethyl-5-(1-methylbutyl)-
- IUPAC
- 1,3-dimethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
- English name
- 1,3-Dimethyl-5-(1-methylbutyl)barbituric acid
- Molecular weight
- 0
Names & synonyms
66941-07-9BARBITURIC ACID, 1,3-DIMETHYL-5-(1-METHYLBUTYL)-RefChem:10774741,3-Dimethyl-5-(1-methylbutyl)barbituric acidBRN 02094534-24-00-01930 (Beilstein Handbook Reference)NSC128096NSC 128096NSC-128096Barbituric acid,3-dimethyl-5-(1-methylbutyl)-2,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-(1-methylbutyl)-1,3-Dimethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Database identifiers
- CAS
66941-07-9- PubChem CID
- 48456
- Nikkaji
- J105.484H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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